USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.4!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 87:sc= 0.0608 USER MOD Single : A 26 MET CE :methyl 152:sc= -0.267 (180deg=-0.794) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -43:sc= 0.16 USER MOD Single : B 4 LYS NZ :NH3+ 146:sc= 1.07 (180deg=-1.6!) USER MOD Single : B 6 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.94) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0596 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 169:sc= -1.48 (180deg=-1.91) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.008 -0.650 -11.963 1.00 0.00 N ATOM 32 CA THR A 3 -1.361 -0.268 -12.266 1.00 0.00 C ATOM 33 C THR A 3 -2.231 -0.365 -11.011 1.00 0.00 C ATOM 34 O THR A 3 -1.883 -1.065 -10.062 1.00 0.00 O ATOM 35 CB THR A 3 -1.854 -1.148 -13.417 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.571 -2.476 -12.984 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.012 -0.981 -14.683 1.00 0.00 C ATOM 0 HA THR A 3 -1.420 0.772 -12.585 1.00 0.00 H new ATOM 0 HB THR A 3 -2.894 -0.908 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.860 -3.113 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.404 -1.627 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.053 0.057 -15.013 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.022 -1.254 -14.471 1.00 0.00 H new ATOM 45 N LYS A 4 -3.348 0.347 -11.048 1.00 0.00 N ATOM 46 CA LYS A 4 -4.266 0.358 -9.922 1.00 0.00 C ATOM 47 C LYS A 4 -4.669 -1.079 -9.584 1.00 0.00 C ATOM 48 O LYS A 4 -4.666 -1.471 -8.418 1.00 0.00 O ATOM 49 CB LYS A 4 -5.454 1.279 -10.208 1.00 0.00 C ATOM 50 CG LYS A 4 -5.118 2.731 -9.863 1.00 0.00 C ATOM 51 CD LYS A 4 -4.758 3.524 -11.121 1.00 0.00 C ATOM 52 CE LYS A 4 -6.006 4.146 -11.752 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.255 3.564 -13.090 1.00 0.00 N ATOM 0 H LYS A 4 -3.638 0.920 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.779 0.769 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.730 1.206 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.318 0.954 -9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.969 3.197 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.285 2.758 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.044 4.308 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.270 2.868 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.869 3.976 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.879 5.225 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.105 3.997 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.438 3.748 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.397 2.538 -13.001 1.00 0.00 H new ATOM 67 N ASP A 5 -5.006 -1.825 -10.626 1.00 0.00 N ATOM 68 CA ASP A 5 -5.464 -3.193 -10.450 1.00 0.00 C ATOM 69 C ASP A 5 -4.353 -4.017 -9.796 1.00 0.00 C ATOM 70 O ASP A 5 -4.619 -4.837 -8.918 1.00 0.00 O ATOM 71 CB ASP A 5 -5.802 -3.838 -11.795 1.00 0.00 C ATOM 72 CG ASP A 5 -7.241 -3.626 -12.270 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.153 -4.049 -11.528 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.397 -3.044 -13.366 1.00 0.00 O ATOM 0 H ASP A 5 -4.971 -1.508 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.357 -3.172 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.124 -3.443 -12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.612 -4.909 -11.725 1.00 0.00 H new ATOM 79 N GLN A 6 -3.133 -3.772 -10.249 1.00 0.00 N ATOM 80 CA GLN A 6 -1.985 -4.507 -9.745 1.00 0.00 C ATOM 81 C GLN A 6 -1.879 -4.349 -8.227 1.00 0.00 C ATOM 82 O GLN A 6 -1.408 -5.252 -7.537 1.00 0.00 O ATOM 83 CB GLN A 6 -0.697 -4.053 -10.435 1.00 0.00 C ATOM 84 CG GLN A 6 -0.389 -4.930 -11.651 1.00 0.00 C ATOM 85 CD GLN A 6 0.680 -5.973 -11.317 1.00 0.00 C ATOM 86 OE1 GLN A 6 1.441 -5.840 -10.373 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.696 -7.015 -12.144 1.00 0.00 N ATOM 0 H GLN A 6 -2.914 -3.074 -10.960 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.126 -5.564 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.794 -3.013 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.133 -4.098 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.299 -5.430 -11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.048 -4.306 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.030 -7.064 -12.915 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.374 -7.765 -12.007 1.00 0.00 H new ATOM 96 N ILE A 7 -2.324 -3.195 -7.751 1.00 0.00 N ATOM 97 CA ILE A 7 -2.262 -2.898 -6.330 1.00 0.00 C ATOM 98 C ILE A 7 -3.347 -3.690 -5.599 1.00 0.00 C ATOM 99 O ILE A 7 -3.133 -4.158 -4.482 1.00 0.00 O ATOM 100 CB ILE A 7 -2.339 -1.388 -6.096 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.096 -0.684 -6.644 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.570 -1.074 -4.616 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.379 0.795 -6.918 1.00 0.00 C ATOM 0 H ILE A 7 -2.729 -2.455 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.304 -3.214 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.197 -1.000 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.278 -0.775 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.773 -1.172 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.621 0.006 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.507 -1.526 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.747 -1.478 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.479 1.272 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.181 0.882 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.678 1.286 -5.992 1.00 0.00 H new ATOM 115 N ILE A 8 -4.489 -3.816 -6.260 1.00 0.00 N ATOM 116 CA ILE A 8 -5.604 -4.556 -5.693 1.00 0.00 C ATOM 117 C ILE A 8 -5.135 -5.962 -5.314 1.00 0.00 C ATOM 118 O ILE A 8 -5.389 -6.426 -4.203 1.00 0.00 O ATOM 119 CB ILE A 8 -6.797 -4.543 -6.650 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.278 -3.113 -6.907 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.923 -5.442 -6.135 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.487 -3.101 -7.844 1.00 0.00 C ATOM 0 H ILE A 8 -4.666 -3.418 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.954 -4.078 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.472 -4.951 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.542 -2.639 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.469 -2.527 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.759 -5.415 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.559 -6.465 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.254 -5.087 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.809 -2.073 -8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.213 -3.554 -8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.302 -3.668 -7.394 1.00 0.00 H new ATOM 134 N GLU A 9 -4.461 -6.602 -6.258 1.00 0.00 N ATOM 135 CA GLU A 9 -3.972 -7.953 -6.043 1.00 0.00 C ATOM 136 C GLU A 9 -2.986 -7.982 -4.873 1.00 0.00 C ATOM 137 O GLU A 9 -2.751 -9.033 -4.280 1.00 0.00 O ATOM 138 CB GLU A 9 -3.330 -8.512 -7.314 1.00 0.00 C ATOM 139 CG GLU A 9 -4.393 -9.054 -8.272 1.00 0.00 C ATOM 140 CD GLU A 9 -3.814 -9.264 -9.673 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.251 -8.283 -10.207 1.00 0.00 O ATOM 142 OE2 GLU A 9 -3.946 -10.400 -10.178 1.00 0.00 O ATOM 0 H GLU A 9 -4.242 -6.210 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.821 -8.590 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.754 -7.730 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.631 -9.307 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.784 -9.998 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.231 -8.359 -8.322 1.00 0.00 H new ATOM 149 N ALA A 10 -2.435 -6.814 -4.577 1.00 0.00 N ATOM 150 CA ALA A 10 -1.478 -6.692 -3.491 1.00 0.00 C ATOM 151 C ALA A 10 -2.223 -6.707 -2.155 1.00 0.00 C ATOM 152 O ALA A 10 -1.821 -7.402 -1.223 1.00 0.00 O ATOM 153 CB ALA A 10 -0.648 -5.420 -3.681 1.00 0.00 C ATOM 0 H ALA A 10 -2.633 -5.944 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.787 -7.535 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.070 -5.329 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.115 -5.472 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.307 -4.552 -3.682 1.00 0.00 H new ATOM 159 N VAL A 11 -3.297 -5.932 -2.104 1.00 0.00 N ATOM 160 CA VAL A 11 -4.102 -5.848 -0.898 1.00 0.00 C ATOM 161 C VAL A 11 -4.728 -7.214 -0.611 1.00 0.00 C ATOM 162 O VAL A 11 -5.036 -7.531 0.537 1.00 0.00 O ATOM 163 CB VAL A 11 -5.140 -4.732 -1.039 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.219 -4.847 0.041 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.474 -3.356 -1.004 1.00 0.00 C ATOM 0 H VAL A 11 -3.628 -5.357 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.480 -5.589 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.624 -4.845 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.944 -4.042 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.725 -5.808 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.758 -4.773 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.234 -2.581 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.951 -3.229 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.761 -3.276 -1.825 1.00 0.00 H new ATOM 175 N ALA A 12 -4.897 -7.987 -1.674 1.00 0.00 N ATOM 176 CA ALA A 12 -5.506 -9.301 -1.554 1.00 0.00 C ATOM 177 C ALA A 12 -4.434 -10.321 -1.166 1.00 0.00 C ATOM 178 O ALA A 12 -4.728 -11.505 -1.004 1.00 0.00 O ATOM 179 CB ALA A 12 -6.205 -9.661 -2.866 1.00 0.00 C ATOM 0 H ALA A 12 -4.623 -7.729 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.263 -9.303 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.662 -10.647 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.976 -8.922 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.476 -9.672 -3.676 1.00 0.00 H new ATOM 185 N ALA A 13 -3.213 -9.825 -1.028 1.00 0.00 N ATOM 186 CA ALA A 13 -2.088 -10.686 -0.706 1.00 0.00 C ATOM 187 C ALA A 13 -1.855 -10.671 0.807 1.00 0.00 C ATOM 188 O ALA A 13 -1.337 -11.634 1.369 1.00 0.00 O ATOM 189 CB ALA A 13 -0.855 -10.231 -1.490 1.00 0.00 C ATOM 0 H ALA A 13 -2.978 -8.838 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.298 -11.715 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.011 -10.877 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.062 -10.289 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.613 -9.203 -1.222 1.00 0.00 H new ATOM 195 N MET A 14 -2.251 -9.566 1.422 1.00 0.00 N ATOM 196 CA MET A 14 -2.070 -9.402 2.855 1.00 0.00 C ATOM 197 C MET A 14 -3.337 -9.799 3.616 1.00 0.00 C ATOM 198 O MET A 14 -4.384 -10.024 3.011 1.00 0.00 O ATOM 199 CB MET A 14 -1.725 -7.944 3.163 1.00 0.00 C ATOM 200 CG MET A 14 -0.438 -7.523 2.450 1.00 0.00 C ATOM 201 SD MET A 14 -0.765 -6.146 1.362 1.00 0.00 S ATOM 202 CE MET A 14 -0.004 -4.827 2.293 1.00 0.00 C ATOM 0 H MET A 14 -2.696 -8.776 0.955 1.00 0.00 H new ATOM 0 HA MET A 14 -1.256 -10.052 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.546 -7.298 2.851 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.608 -7.814 4.239 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.320 -7.246 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.038 -8.361 1.879 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.117 -3.887 1.752 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.485 -4.745 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.056 -5.042 2.429 1.00 0.00 H new ATOM 212 N SER A 15 -3.200 -9.872 4.932 1.00 0.00 N ATOM 213 CA SER A 15 -4.319 -10.242 5.781 1.00 0.00 C ATOM 214 C SER A 15 -5.220 -9.028 6.017 1.00 0.00 C ATOM 215 O SER A 15 -4.835 -7.898 5.722 1.00 0.00 O ATOM 216 CB SER A 15 -3.833 -10.809 7.117 1.00 0.00 C ATOM 217 OG SER A 15 -2.528 -10.343 7.451 1.00 0.00 O ATOM 0 H SER A 15 -2.331 -9.681 5.431 1.00 0.00 H new ATOM 0 HA SER A 15 -4.891 -11.019 5.274 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.531 -10.528 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.828 -11.898 7.069 1.00 0.00 H new ATOM 0 HG SER A 15 -2.254 -10.726 8.311 1.00 0.00 H new ATOM 223 N VAL A 16 -6.404 -9.304 6.545 1.00 0.00 N ATOM 224 CA VAL A 16 -7.377 -8.253 6.791 1.00 0.00 C ATOM 225 C VAL A 16 -6.804 -7.261 7.806 1.00 0.00 C ATOM 226 O VAL A 16 -6.895 -6.050 7.614 1.00 0.00 O ATOM 227 CB VAL A 16 -8.706 -8.865 7.237 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.749 -7.777 7.501 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.217 -9.877 6.210 1.00 0.00 C ATOM 0 H VAL A 16 -6.711 -10.240 6.809 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.581 -7.699 5.875 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.532 -9.397 8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.685 -8.239 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.390 -7.111 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.917 -7.205 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.163 -10.297 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.366 -9.379 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.486 -10.677 6.093 1.00 0.00 H new ATOM 239 N MET A 17 -6.227 -7.812 8.863 1.00 0.00 N ATOM 240 CA MET A 17 -5.639 -6.992 9.908 1.00 0.00 C ATOM 241 C MET A 17 -4.537 -6.092 9.343 1.00 0.00 C ATOM 242 O MET A 17 -4.490 -4.900 9.642 1.00 0.00 O ATOM 243 CB MET A 17 -5.054 -7.893 10.997 1.00 0.00 C ATOM 244 CG MET A 17 -6.089 -8.175 12.089 1.00 0.00 C ATOM 245 SD MET A 17 -5.309 -8.988 13.473 1.00 0.00 S ATOM 246 CE MET A 17 -6.282 -10.482 13.544 1.00 0.00 C ATOM 0 H MET A 17 -6.154 -8.817 9.018 1.00 0.00 H new ATOM 0 HA MET A 17 -6.420 -6.359 10.329 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.720 -8.832 10.556 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.177 -7.417 11.436 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.548 -7.242 12.416 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.888 -8.801 11.692 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.925 -11.110 14.360 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.328 -10.227 13.713 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.188 -11.023 12.602 1.00 0.00 H new ATOM 256 N ASP A 18 -3.678 -6.698 8.537 1.00 0.00 N ATOM 257 CA ASP A 18 -2.567 -5.973 7.946 1.00 0.00 C ATOM 258 C ASP A 18 -3.108 -4.805 7.118 1.00 0.00 C ATOM 259 O ASP A 18 -2.501 -3.736 7.076 1.00 0.00 O ATOM 260 CB ASP A 18 -1.753 -6.874 7.015 1.00 0.00 C ATOM 261 CG ASP A 18 -0.415 -6.291 6.557 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.458 -5.305 5.790 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.622 -6.844 6.985 1.00 0.00 O ATOM 0 H ASP A 18 -3.729 -7.684 8.279 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.928 -5.619 8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.565 -7.820 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.355 -7.099 6.134 1.00 0.00 H new ATOM 268 N VAL A 19 -4.243 -5.049 6.481 1.00 0.00 N ATOM 269 CA VAL A 19 -4.840 -4.053 5.607 1.00 0.00 C ATOM 270 C VAL A 19 -5.531 -2.984 6.456 1.00 0.00 C ATOM 271 O VAL A 19 -5.574 -1.816 6.075 1.00 0.00 O ATOM 272 CB VAL A 19 -5.785 -4.729 4.612 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.396 -3.705 3.654 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.068 -5.840 3.843 1.00 0.00 C ATOM 0 H VAL A 19 -4.766 -5.922 6.552 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.072 -3.553 5.017 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.598 -5.184 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.064 -4.212 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.959 -2.965 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.601 -3.207 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.762 -6.304 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.226 -5.418 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.704 -6.591 4.544 1.00 0.00 H new ATOM 284 N VAL A 20 -6.054 -3.423 7.592 1.00 0.00 N ATOM 285 CA VAL A 20 -6.739 -2.518 8.499 1.00 0.00 C ATOM 286 C VAL A 20 -5.769 -1.423 8.949 1.00 0.00 C ATOM 287 O VAL A 20 -6.150 -0.258 9.060 1.00 0.00 O ATOM 288 CB VAL A 20 -7.337 -3.302 9.668 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.512 -2.408 10.897 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.664 -3.952 9.270 1.00 0.00 C ATOM 0 H VAL A 20 -6.017 -4.393 7.905 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.571 -2.029 7.993 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.639 -4.097 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.939 -2.991 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.542 -2.014 11.201 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.180 -1.581 10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.068 -4.503 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.372 -3.180 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.499 -4.637 8.438 1.00 0.00 H new ATOM 300 N GLU A 21 -4.534 -1.835 9.195 1.00 0.00 N ATOM 301 CA GLU A 21 -3.501 -0.899 9.607 1.00 0.00 C ATOM 302 C GLU A 21 -3.190 0.080 8.473 1.00 0.00 C ATOM 303 O GLU A 21 -3.095 1.286 8.698 1.00 0.00 O ATOM 304 CB GLU A 21 -2.239 -1.639 10.055 1.00 0.00 C ATOM 305 CG GLU A 21 -2.317 -2.009 11.537 1.00 0.00 C ATOM 306 CD GLU A 21 -1.889 -0.834 12.419 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.842 -0.233 12.095 1.00 0.00 O ATOM 308 OE2 GLU A 21 -2.619 -0.563 13.397 1.00 0.00 O ATOM 0 H GLU A 21 -4.225 -2.804 9.117 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.871 -0.330 10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.111 -2.542 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.364 -1.013 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.335 -2.305 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.677 -2.869 11.735 1.00 0.00 H new ATOM 315 N LEU A 22 -3.039 -0.475 7.279 1.00 0.00 N ATOM 316 CA LEU A 22 -2.782 0.339 6.103 1.00 0.00 C ATOM 317 C LEU A 22 -3.868 1.410 5.983 1.00 0.00 C ATOM 318 O LEU A 22 -3.568 2.603 5.959 1.00 0.00 O ATOM 319 CB LEU A 22 -2.648 -0.544 4.860 1.00 0.00 C ATOM 320 CG LEU A 22 -2.052 0.128 3.622 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.528 -0.005 3.607 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.687 -0.419 2.342 1.00 0.00 C ATOM 0 H LEU A 22 -3.090 -1.478 7.101 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.829 0.860 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.030 -1.405 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.636 -0.926 4.602 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.283 1.192 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.129 0.481 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.113 0.469 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.255 -1.060 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.245 0.075 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.508 -1.492 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.760 -0.230 2.359 1.00 0.00 H new ATOM 334 N ILE A 23 -5.107 0.946 5.909 1.00 0.00 N ATOM 335 CA ILE A 23 -6.234 1.847 5.740 1.00 0.00 C ATOM 336 C ILE A 23 -6.243 2.866 6.881 1.00 0.00 C ATOM 337 O ILE A 23 -6.566 4.034 6.673 1.00 0.00 O ATOM 338 CB ILE A 23 -7.538 1.056 5.613 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.598 0.310 4.278 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.752 1.963 5.818 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.761 -0.685 4.258 1.00 0.00 C ATOM 0 H ILE A 23 -5.355 -0.042 5.963 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.136 2.409 4.811 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.561 0.305 6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.712 1.025 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.660 -0.218 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.665 1.376 5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.709 2.409 6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.748 2.752 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.781 -1.202 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.631 -1.412 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.700 -0.150 4.402 1.00 0.00 H new ATOM 353 N SER A 24 -5.883 2.387 8.063 1.00 0.00 N ATOM 354 CA SER A 24 -5.900 3.227 9.248 1.00 0.00 C ATOM 355 C SER A 24 -4.847 4.329 9.124 1.00 0.00 C ATOM 356 O SER A 24 -5.074 5.461 9.548 1.00 0.00 O ATOM 357 CB SER A 24 -5.657 2.400 10.513 1.00 0.00 C ATOM 358 OG SER A 24 -6.872 1.904 11.068 1.00 0.00 O ATOM 0 H SER A 24 -5.578 1.427 8.225 1.00 0.00 H new ATOM 0 HA SER A 24 -6.886 3.684 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.998 1.564 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.144 3.013 11.254 1.00 0.00 H new ATOM 0 HG SER A 24 -7.098 1.048 10.648 1.00 0.00 H new ATOM 364 N ALA A 25 -3.716 3.960 8.540 1.00 0.00 N ATOM 365 CA ALA A 25 -2.625 4.902 8.359 1.00 0.00 C ATOM 366 C ALA A 25 -3.084 6.036 7.440 1.00 0.00 C ATOM 367 O ALA A 25 -3.080 7.201 7.836 1.00 0.00 O ATOM 368 CB ALA A 25 -1.401 4.167 7.810 1.00 0.00 C ATOM 0 H ALA A 25 -3.532 3.021 8.186 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.338 5.345 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.583 4.874 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.097 3.391 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.650 3.712 6.851 1.00 0.00 H new ATOM 374 N MET A 26 -3.468 5.656 6.230 1.00 0.00 N ATOM 375 CA MET A 26 -3.918 6.628 5.248 1.00 0.00 C ATOM 376 C MET A 26 -5.004 7.534 5.832 1.00 0.00 C ATOM 377 O MET A 26 -4.977 8.748 5.635 1.00 0.00 O ATOM 378 CB MET A 26 -4.468 5.897 4.021 1.00 0.00 C ATOM 379 CG MET A 26 -3.340 5.237 3.225 1.00 0.00 C ATOM 380 SD MET A 26 -3.997 4.480 1.749 1.00 0.00 S ATOM 381 CE MET A 26 -2.704 3.298 1.404 1.00 0.00 C ATOM 0 H MET A 26 -3.477 4.688 5.907 1.00 0.00 H new ATOM 0 HA MET A 26 -3.068 7.248 4.962 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.187 5.140 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.004 6.601 3.384 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.588 5.980 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.842 4.486 3.838 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.124 2.444 0.872 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.937 3.767 0.788 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.261 2.960 2.341 1.00 0.00 H new ATOM 391 N GLU A 27 -5.935 6.909 6.538 1.00 0.00 N ATOM 392 CA GLU A 27 -7.045 7.640 7.126 1.00 0.00 C ATOM 393 C GLU A 27 -6.529 8.856 7.899 1.00 0.00 C ATOM 394 O GLU A 27 -7.060 9.956 7.757 1.00 0.00 O ATOM 395 CB GLU A 27 -7.882 6.732 8.029 1.00 0.00 C ATOM 396 CG GLU A 27 -9.021 6.078 7.243 1.00 0.00 C ATOM 397 CD GLU A 27 -10.234 5.826 8.141 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.023 5.248 9.229 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.343 6.218 7.720 1.00 0.00 O ATOM 0 H GLU A 27 -5.944 5.905 6.716 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.690 7.992 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.247 5.961 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.292 7.313 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.308 6.720 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.678 5.136 6.816 1.00 0.00 H new ATOM 406 N GLU A 28 -5.501 8.616 8.699 1.00 0.00 N ATOM 407 CA GLU A 28 -4.959 9.658 9.554 1.00 0.00 C ATOM 408 C GLU A 28 -4.013 10.559 8.758 1.00 0.00 C ATOM 409 O GLU A 28 -4.059 11.782 8.888 1.00 0.00 O ATOM 410 CB GLU A 28 -4.250 9.057 10.770 1.00 0.00 C ATOM 411 CG GLU A 28 -4.150 10.077 11.905 1.00 0.00 C ATOM 412 CD GLU A 28 -2.749 10.076 12.520 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.782 10.137 11.730 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.676 10.015 13.767 1.00 0.00 O ATOM 0 H GLU A 28 -5.029 7.715 8.773 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.786 10.266 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.793 8.177 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.252 8.725 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.384 11.072 11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.888 9.846 12.673 1.00 0.00 H new ATOM 421 N LYS A 29 -3.178 9.921 7.951 1.00 0.00 N ATOM 422 CA LYS A 29 -2.193 10.646 7.168 1.00 0.00 C ATOM 423 C LYS A 29 -2.904 11.689 6.302 1.00 0.00 C ATOM 424 O LYS A 29 -2.722 12.890 6.495 1.00 0.00 O ATOM 425 CB LYS A 29 -1.322 9.674 6.369 1.00 0.00 C ATOM 426 CG LYS A 29 -0.346 10.429 5.465 1.00 0.00 C ATOM 427 CD LYS A 29 1.042 10.512 6.105 1.00 0.00 C ATOM 428 CE LYS A 29 1.473 11.968 6.291 1.00 0.00 C ATOM 429 NZ LYS A 29 1.784 12.588 4.984 1.00 0.00 N ATOM 0 H LYS A 29 -3.164 8.909 7.823 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.509 11.186 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.767 9.031 7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.956 9.025 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.276 9.927 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.724 11.434 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.032 10.006 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.767 9.991 5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.679 12.528 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.348 12.014 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.075 13.576 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.556 12.063 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.940 12.561 4.377 1.00 0.00 H new ATOM 443 N PHE A 30 -3.698 11.191 5.365 1.00 0.00 N ATOM 444 CA PHE A 30 -4.424 12.064 4.458 1.00 0.00 C ATOM 445 C PHE A 30 -5.612 12.721 5.163 1.00 0.00 C ATOM 446 O PHE A 30 -6.293 13.565 4.583 1.00 0.00 O ATOM 447 CB PHE A 30 -4.944 11.189 3.316 1.00 0.00 C ATOM 448 CG PHE A 30 -3.842 10.603 2.430 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.376 11.312 1.367 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.330 9.374 2.705 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.354 10.769 0.545 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.308 8.830 1.882 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.841 9.539 0.820 1.00 0.00 C ATOM 0 H PHE A 30 -3.854 10.194 5.214 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.767 12.855 4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.531 10.372 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.618 11.781 2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.783 12.288 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.700 8.811 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.984 11.332 -0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.902 7.853 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.063 9.126 0.195 1.00 0.00 H new ATOM 463 N GLY A 31 -5.825 12.309 6.404 1.00 0.00 N ATOM 464 CA GLY A 31 -6.917 12.851 7.195 1.00 0.00 C ATOM 465 C GLY A 31 -8.228 12.832 6.407 1.00 0.00 C ATOM 466 O GLY A 31 -8.850 13.874 6.206 1.00 0.00 O ATOM 0 H GLY A 31 -5.260 11.606 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.031 12.270 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.683 13.873 7.493 1.00 0.00 H new ATOM 568 N THR B 3 7.111 -2.337 3.219 1.00 0.00 N ATOM 569 CA THR B 3 6.446 -1.990 4.463 1.00 0.00 C ATOM 570 C THR B 3 5.127 -1.268 4.180 1.00 0.00 C ATOM 571 O THR B 3 4.937 -0.716 3.098 1.00 0.00 O ATOM 572 CB THR B 3 7.421 -1.165 5.306 1.00 0.00 C ATOM 573 OG1 THR B 3 7.874 -0.148 4.417 1.00 0.00 O ATOM 574 CG2 THR B 3 8.690 -1.943 5.661 1.00 0.00 C ATOM 0 HA THR B 3 6.177 -2.882 5.029 1.00 0.00 H new ATOM 0 HB THR B 3 6.926 -0.841 6.221 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.057 -0.540 3.538 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.348 -1.313 6.259 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.424 -2.833 6.231 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.204 -2.238 4.746 1.00 0.00 H new ATOM 582 N LYS B 4 4.250 -1.296 5.173 1.00 0.00 N ATOM 583 CA LYS B 4 2.956 -0.646 5.047 1.00 0.00 C ATOM 584 C LYS B 4 3.165 0.847 4.783 1.00 0.00 C ATOM 585 O LYS B 4 2.515 1.424 3.912 1.00 0.00 O ATOM 586 CB LYS B 4 2.088 -0.939 6.271 1.00 0.00 C ATOM 587 CG LYS B 4 1.344 -2.267 6.111 1.00 0.00 C ATOM 588 CD LYS B 4 1.741 -3.254 7.211 1.00 0.00 C ATOM 589 CE LYS B 4 2.860 -4.183 6.735 1.00 0.00 C ATOM 590 NZ LYS B 4 2.330 -5.189 5.788 1.00 0.00 N ATOM 0 H LYS B 4 4.410 -1.758 6.068 1.00 0.00 H new ATOM 0 HA LYS B 4 2.408 -1.048 4.194 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.712 -0.973 7.164 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.370 -0.131 6.414 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.269 -2.092 6.145 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.566 -2.697 5.134 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.069 -2.707 8.095 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.873 -3.845 7.505 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.645 -3.600 6.254 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.314 -4.684 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.052 -5.406 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.083 -6.057 6.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.481 -4.812 5.320 1.00 0.00 H new ATOM 604 N ASP B 5 4.073 1.430 5.552 1.00 0.00 N ATOM 605 CA ASP B 5 4.369 2.846 5.418 1.00 0.00 C ATOM 606 C ASP B 5 4.778 3.143 3.974 1.00 0.00 C ATOM 607 O ASP B 5 4.324 4.123 3.386 1.00 0.00 O ATOM 608 CB ASP B 5 5.526 3.256 6.331 1.00 0.00 C ATOM 609 CG ASP B 5 5.466 2.682 7.748 1.00 0.00 C ATOM 610 OD1 ASP B 5 5.637 1.449 7.869 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.250 3.488 8.679 1.00 0.00 O ATOM 0 H ASP B 5 4.613 0.947 6.270 1.00 0.00 H new ATOM 0 HA ASP B 5 3.475 3.405 5.696 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.462 2.944 5.868 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.550 4.344 6.396 1.00 0.00 H new ATOM 616 N GLN B 6 5.631 2.279 3.445 1.00 0.00 N ATOM 617 CA GLN B 6 6.134 2.456 2.093 1.00 0.00 C ATOM 618 C GLN B 6 4.971 2.576 1.106 1.00 0.00 C ATOM 619 O GLN B 6 5.114 3.181 0.044 1.00 0.00 O ATOM 620 CB GLN B 6 7.069 1.310 1.702 1.00 0.00 C ATOM 621 CG GLN B 6 8.517 1.632 2.076 1.00 0.00 C ATOM 622 CD GLN B 6 9.231 2.358 0.933 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.040 2.067 -0.236 1.00 0.00 O ATOM 624 NE2 GLN B 6 10.061 3.315 1.336 1.00 0.00 N ATOM 0 H GLN B 6 5.987 1.454 3.928 1.00 0.00 H new ATOM 0 HA GLN B 6 6.711 3.380 2.058 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.756 0.394 2.202 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.998 1.128 0.630 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.535 2.251 2.973 1.00 0.00 H new ATOM 0 HG3 GLN B 6 9.048 0.711 2.314 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.174 3.507 2.332 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.585 3.858 0.650 1.00 0.00 H new ATOM 633 N ILE B 7 3.847 1.992 1.491 1.00 0.00 N ATOM 634 CA ILE B 7 2.670 1.999 0.639 1.00 0.00 C ATOM 635 C ILE B 7 1.921 3.321 0.821 1.00 0.00 C ATOM 636 O ILE B 7 1.251 3.790 -0.097 1.00 0.00 O ATOM 637 CB ILE B 7 1.808 0.763 0.905 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.595 -0.522 0.638 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.508 0.816 0.100 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.677 -0.813 -0.861 1.00 0.00 C ATOM 0 H ILE B 7 3.726 1.510 2.382 1.00 0.00 H new ATOM 0 HA ILE B 7 2.960 1.938 -0.410 1.00 0.00 H new ATOM 0 HB ILE B 7 1.533 0.760 1.960 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.600 -0.429 1.050 1.00 0.00 H new ATOM 0 HG13 ILE B 7 2.117 -1.358 1.149 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.085 -0.074 0.308 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.059 1.704 0.382 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.740 0.857 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.241 -1.731 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.671 -0.929 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.177 0.014 -1.365 1.00 0.00 H new ATOM 652 N ILE B 8 2.061 3.884 2.012 1.00 0.00 N ATOM 653 CA ILE B 8 1.415 5.147 2.323 1.00 0.00 C ATOM 654 C ILE B 8 1.921 6.225 1.362 1.00 0.00 C ATOM 655 O ILE B 8 1.144 7.047 0.881 1.00 0.00 O ATOM 656 CB ILE B 8 1.609 5.500 3.799 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.104 4.373 4.703 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.953 6.841 4.134 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.421 4.263 4.641 1.00 0.00 C ATOM 0 H ILE B 8 2.613 3.488 2.773 1.00 0.00 H new ATOM 0 HA ILE B 8 0.338 5.069 2.177 1.00 0.00 H new ATOM 0 HB ILE B 8 2.677 5.609 3.986 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.553 3.428 4.398 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.418 4.558 5.730 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.106 7.067 5.189 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.400 7.627 3.526 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.116 6.785 3.926 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.754 3.455 5.292 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.867 5.202 4.970 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.729 4.054 3.617 1.00 0.00 H new ATOM 671 N GLU B 9 3.222 6.185 1.111 1.00 0.00 N ATOM 672 CA GLU B 9 3.843 7.154 0.226 1.00 0.00 C ATOM 673 C GLU B 9 3.472 6.859 -1.229 1.00 0.00 C ATOM 674 O GLU B 9 3.679 7.694 -2.108 1.00 0.00 O ATOM 675 CB GLU B 9 5.362 7.172 0.411 1.00 0.00 C ATOM 676 CG GLU B 9 5.746 7.848 1.728 1.00 0.00 C ATOM 677 CD GLU B 9 5.743 6.843 2.882 1.00 0.00 C ATOM 678 OE1 GLU B 9 6.557 5.897 2.813 1.00 0.00 O ATOM 679 OE2 GLU B 9 4.925 7.042 3.806 1.00 0.00 O ATOM 0 H GLU B 9 3.862 5.496 1.506 1.00 0.00 H new ATOM 0 HA GLU B 9 3.467 8.144 0.483 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.746 6.152 0.396 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.827 7.700 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU B 9 6.735 8.298 1.635 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.047 8.656 1.943 1.00 0.00 H new ATOM 686 N ALA B 10 2.929 5.669 -1.438 1.00 0.00 N ATOM 687 CA ALA B 10 2.546 5.245 -2.774 1.00 0.00 C ATOM 688 C ALA B 10 1.249 5.950 -3.176 1.00 0.00 C ATOM 689 O ALA B 10 1.105 6.390 -4.315 1.00 0.00 O ATOM 690 CB ALA B 10 2.416 3.721 -2.808 1.00 0.00 C ATOM 0 H ALA B 10 2.745 4.985 -0.704 1.00 0.00 H new ATOM 0 HA ALA B 10 3.311 5.523 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.129 3.403 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.372 3.268 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.655 3.405 -2.095 1.00 0.00 H new ATOM 696 N VAL B 11 0.337 6.034 -2.218 1.00 0.00 N ATOM 697 CA VAL B 11 -0.948 6.667 -2.461 1.00 0.00 C ATOM 698 C VAL B 11 -0.783 8.187 -2.399 1.00 0.00 C ATOM 699 O VAL B 11 -1.640 8.927 -2.879 1.00 0.00 O ATOM 700 CB VAL B 11 -1.987 6.137 -1.471 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.177 7.093 -1.362 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.448 4.731 -1.859 1.00 0.00 C ATOM 0 H VAL B 11 0.463 5.674 -1.272 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.313 6.421 -3.458 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.514 6.076 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.901 6.693 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.831 8.067 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.648 7.200 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.186 4.378 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.894 4.756 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.593 4.055 -1.862 1.00 0.00 H new ATOM 712 N ALA B 12 0.324 8.606 -1.804 1.00 0.00 N ATOM 713 CA ALA B 12 0.620 10.024 -1.689 1.00 0.00 C ATOM 714 C ALA B 12 1.504 10.452 -2.862 1.00 0.00 C ATOM 715 O ALA B 12 1.960 11.594 -2.916 1.00 0.00 O ATOM 716 CB ALA B 12 1.275 10.301 -0.334 1.00 0.00 C ATOM 0 H ALA B 12 1.027 7.989 -1.397 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.296 10.612 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.497 11.365 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.595 10.006 0.466 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.200 9.730 -0.253 1.00 0.00 H new ATOM 722 N ALA B 13 1.720 9.514 -3.773 1.00 0.00 N ATOM 723 CA ALA B 13 2.554 9.776 -4.934 1.00 0.00 C ATOM 724 C ALA B 13 1.662 10.013 -6.154 1.00 0.00 C ATOM 725 O ALA B 13 2.069 10.679 -7.105 1.00 0.00 O ATOM 726 CB ALA B 13 3.524 8.611 -5.139 1.00 0.00 C ATOM 0 H ALA B 13 1.332 8.572 -3.731 1.00 0.00 H new ATOM 0 HA ALA B 13 3.151 10.675 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.150 8.807 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.154 8.503 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.960 7.692 -5.297 1.00 0.00 H new ATOM 732 N MET B 14 0.462 9.456 -6.087 1.00 0.00 N ATOM 733 CA MET B 14 -0.484 9.582 -7.183 1.00 0.00 C ATOM 734 C MET B 14 -1.436 10.757 -6.953 1.00 0.00 C ATOM 735 O MET B 14 -1.469 11.330 -5.865 1.00 0.00 O ATOM 736 CB MET B 14 -1.290 8.288 -7.313 1.00 0.00 C ATOM 737 CG MET B 14 -0.365 7.080 -7.474 1.00 0.00 C ATOM 738 SD MET B 14 -1.171 5.820 -8.449 1.00 0.00 S ATOM 739 CE MET B 14 -0.383 4.363 -7.784 1.00 0.00 C ATOM 0 H MET B 14 0.123 8.916 -5.291 1.00 0.00 H new ATOM 0 HA MET B 14 0.074 9.766 -8.101 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.917 8.156 -6.431 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.958 8.356 -8.172 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.564 7.385 -7.955 1.00 0.00 H new ATOM 0 HG3 MET B 14 -0.101 6.681 -6.495 1.00 0.00 H new ATOM 0 HE1 MET B 14 -0.773 3.477 -8.286 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.693 4.426 -7.944 1.00 0.00 H new ATOM 0 HE3 MET B 14 -0.587 4.294 -6.716 1.00 0.00 H new ATOM 749 N SER B 15 -2.188 11.080 -7.995 1.00 0.00 N ATOM 750 CA SER B 15 -3.126 12.188 -7.926 1.00 0.00 C ATOM 751 C SER B 15 -4.397 11.752 -7.193 1.00 0.00 C ATOM 752 O SER B 15 -4.639 10.559 -7.019 1.00 0.00 O ATOM 753 CB SER B 15 -3.471 12.706 -9.323 1.00 0.00 C ATOM 754 OG SER B 15 -3.293 11.705 -10.322 1.00 0.00 O ATOM 0 H SER B 15 -2.167 10.594 -8.892 1.00 0.00 H new ATOM 0 HA SER B 15 -2.655 13.001 -7.373 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.505 13.052 -9.336 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.844 13.566 -9.556 1.00 0.00 H new ATOM 0 HG SER B 15 -3.525 12.074 -11.200 1.00 0.00 H new ATOM 760 N VAL B 16 -5.174 12.744 -6.783 1.00 0.00 N ATOM 761 CA VAL B 16 -6.396 12.479 -6.041 1.00 0.00 C ATOM 762 C VAL B 16 -7.336 11.633 -6.901 1.00 0.00 C ATOM 763 O VAL B 16 -7.948 10.686 -6.410 1.00 0.00 O ATOM 764 CB VAL B 16 -7.026 13.796 -5.584 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.334 13.546 -4.830 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.047 14.605 -4.730 1.00 0.00 C ATOM 0 H VAL B 16 -4.982 13.732 -6.950 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.179 11.908 -5.138 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.259 14.382 -6.473 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.761 14.499 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.038 13.030 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.136 12.931 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.520 15.536 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.769 14.027 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.154 14.829 -5.314 1.00 0.00 H new ATOM 776 N MET B 17 -7.423 12.006 -8.169 1.00 0.00 N ATOM 777 CA MET B 17 -8.258 11.277 -9.108 1.00 0.00 C ATOM 778 C MET B 17 -7.880 9.794 -9.141 1.00 0.00 C ATOM 779 O MET B 17 -8.752 8.927 -9.100 1.00 0.00 O ATOM 780 CB MET B 17 -8.097 11.876 -10.507 1.00 0.00 C ATOM 781 CG MET B 17 -9.141 12.965 -10.761 1.00 0.00 C ATOM 782 SD MET B 17 -8.528 14.543 -10.194 1.00 0.00 S ATOM 783 CE MET B 17 -9.888 15.594 -10.676 1.00 0.00 C ATOM 0 H MET B 17 -6.929 12.804 -8.568 1.00 0.00 H new ATOM 0 HA MET B 17 -9.295 11.362 -8.784 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.096 12.295 -10.614 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.196 11.091 -11.256 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.373 13.017 -11.825 1.00 0.00 H new ATOM 0 HG3 MET B 17 -10.068 12.719 -10.244 1.00 0.00 H new ATOM 0 HE1 MET B 17 -9.669 16.624 -10.394 1.00 0.00 H new ATOM 0 HE2 MET B 17 -10.029 15.535 -11.755 1.00 0.00 H new ATOM 0 HE3 MET B 17 -10.798 15.266 -10.173 1.00 0.00 H new ATOM 793 N ASP B 18 -6.581 9.549 -9.216 1.00 0.00 N ATOM 794 CA ASP B 18 -6.079 8.188 -9.296 1.00 0.00 C ATOM 795 C ASP B 18 -6.367 7.464 -7.979 1.00 0.00 C ATOM 796 O ASP B 18 -6.459 6.238 -7.948 1.00 0.00 O ATOM 797 CB ASP B 18 -4.567 8.170 -9.525 1.00 0.00 C ATOM 798 CG ASP B 18 -3.978 6.797 -9.856 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.268 5.856 -9.086 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.253 6.720 -10.871 1.00 0.00 O ATOM 0 H ASP B 18 -5.860 10.270 -9.223 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.575 7.695 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.330 8.856 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.075 8.554 -8.631 1.00 0.00 H new ATOM 805 N VAL B 19 -6.500 8.254 -6.924 1.00 0.00 N ATOM 806 CA VAL B 19 -6.741 7.702 -5.601 1.00 0.00 C ATOM 807 C VAL B 19 -8.216 7.319 -5.475 1.00 0.00 C ATOM 808 O VAL B 19 -8.558 6.382 -4.754 1.00 0.00 O ATOM 809 CB VAL B 19 -6.287 8.695 -4.529 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.598 8.168 -3.127 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.798 9.018 -4.676 1.00 0.00 C ATOM 0 H VAL B 19 -6.446 9.272 -6.958 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.156 6.795 -5.453 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.846 9.620 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.265 8.893 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.672 8.013 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.078 7.223 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.501 9.726 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.215 8.103 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.616 9.456 -5.657 1.00 0.00 H new ATOM 821 N VAL B 20 -9.051 8.062 -6.185 1.00 0.00 N ATOM 822 CA VAL B 20 -10.479 7.791 -6.187 1.00 0.00 C ATOM 823 C VAL B 20 -10.739 6.451 -6.878 1.00 0.00 C ATOM 824 O VAL B 20 -11.478 5.615 -6.362 1.00 0.00 O ATOM 825 CB VAL B 20 -11.232 8.955 -6.836 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.639 8.529 -7.258 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.282 10.164 -5.900 1.00 0.00 C ATOM 0 H VAL B 20 -8.766 8.852 -6.764 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.853 7.708 -5.167 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.688 9.249 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.153 9.374 -7.716 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.572 7.712 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.197 8.197 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.822 10.977 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.792 9.889 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.267 10.489 -5.671 1.00 0.00 H new ATOM 837 N GLU B 21 -10.116 6.289 -8.036 1.00 0.00 N ATOM 838 CA GLU B 21 -10.271 5.065 -8.804 1.00 0.00 C ATOM 839 C GLU B 21 -9.840 3.857 -7.970 1.00 0.00 C ATOM 840 O GLU B 21 -10.582 2.882 -7.854 1.00 0.00 O ATOM 841 CB GLU B 21 -9.483 5.136 -10.114 1.00 0.00 C ATOM 842 CG GLU B 21 -10.334 5.739 -11.234 1.00 0.00 C ATOM 843 CD GLU B 21 -9.555 5.783 -12.550 1.00 0.00 C ATOM 844 OE1 GLU B 21 -8.838 6.787 -12.752 1.00 0.00 O ATOM 845 OE2 GLU B 21 -9.695 4.813 -13.325 1.00 0.00 O ATOM 0 H GLU B 21 -9.503 6.985 -8.461 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.325 4.949 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.585 5.737 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.155 4.137 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.242 5.149 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.645 6.746 -10.957 1.00 0.00 H new ATOM 852 N LEU B 22 -8.644 3.961 -7.411 1.00 0.00 N ATOM 853 CA LEU B 22 -8.097 2.880 -6.608 1.00 0.00 C ATOM 854 C LEU B 22 -9.094 2.512 -5.508 1.00 0.00 C ATOM 855 O LEU B 22 -9.625 1.402 -5.493 1.00 0.00 O ATOM 856 CB LEU B 22 -6.710 3.253 -6.081 1.00 0.00 C ATOM 857 CG LEU B 22 -5.953 2.147 -5.343 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.568 1.016 -6.298 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.738 2.713 -4.605 1.00 0.00 C ATOM 0 H LEU B 22 -8.038 4.777 -7.498 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.952 1.988 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.101 3.584 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.815 4.105 -5.409 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.617 1.721 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -5.031 0.243 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.469 0.589 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.929 1.409 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.218 1.906 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.063 3.181 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.067 3.456 -3.878 1.00 0.00 H new ATOM 871 N ILE B 23 -9.320 3.464 -4.615 1.00 0.00 N ATOM 872 CA ILE B 23 -10.213 3.240 -3.491 1.00 0.00 C ATOM 873 C ILE B 23 -11.503 2.588 -3.993 1.00 0.00 C ATOM 874 O ILE B 23 -11.963 1.597 -3.429 1.00 0.00 O ATOM 875 CB ILE B 23 -10.441 4.541 -2.720 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.178 4.960 -1.965 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.652 4.424 -1.792 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.804 3.922 -0.905 1.00 0.00 C ATOM 0 H ILE B 23 -8.900 4.393 -4.647 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.763 2.549 -2.778 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.662 5.330 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.353 5.081 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -9.338 5.928 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.792 5.363 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.543 4.207 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.486 3.619 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.903 4.244 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.621 3.821 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -8.621 2.961 -1.386 1.00 0.00 H new ATOM 890 N SER B 24 -12.051 3.172 -5.049 1.00 0.00 N ATOM 891 CA SER B 24 -13.309 2.694 -5.600 1.00 0.00 C ATOM 892 C SER B 24 -13.169 1.233 -6.031 1.00 0.00 C ATOM 893 O SER B 24 -14.096 0.441 -5.863 1.00 0.00 O ATOM 894 CB SER B 24 -13.755 3.556 -6.782 1.00 0.00 C ATOM 895 OG SER B 24 -14.558 4.658 -6.366 1.00 0.00 O ATOM 0 H SER B 24 -11.647 3.971 -5.538 1.00 0.00 H new ATOM 0 HA SER B 24 -14.072 2.766 -4.825 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.878 3.926 -7.312 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.317 2.943 -7.486 1.00 0.00 H new ATOM 0 HG SER B 24 -14.821 5.185 -7.149 1.00 0.00 H new ATOM 901 N ALA B 25 -12.005 0.919 -6.579 1.00 0.00 N ATOM 902 CA ALA B 25 -11.744 -0.425 -7.065 1.00 0.00 C ATOM 903 C ALA B 25 -11.912 -1.420 -5.915 1.00 0.00 C ATOM 904 O ALA B 25 -12.844 -2.222 -5.914 1.00 0.00 O ATOM 905 CB ALA B 25 -10.347 -0.482 -7.686 1.00 0.00 C ATOM 0 H ALA B 25 -11.231 1.573 -6.697 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.457 -0.697 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.152 -1.491 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.289 0.222 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.604 -0.218 -6.934 1.00 0.00 H new ATOM 911 N MET B 26 -10.994 -1.334 -4.963 1.00 0.00 N ATOM 912 CA MET B 26 -11.015 -2.233 -3.821 1.00 0.00 C ATOM 913 C MET B 26 -12.395 -2.249 -3.161 1.00 0.00 C ATOM 914 O MET B 26 -12.860 -3.296 -2.713 1.00 0.00 O ATOM 915 CB MET B 26 -9.966 -1.786 -2.800 1.00 0.00 C ATOM 916 CG MET B 26 -8.550 -1.997 -3.341 1.00 0.00 C ATOM 917 SD MET B 26 -7.375 -1.097 -2.344 1.00 0.00 S ATOM 918 CE MET B 26 -5.912 -1.276 -3.351 1.00 0.00 C ATOM 0 H MET B 26 -10.232 -0.656 -4.959 1.00 0.00 H new ATOM 0 HA MET B 26 -10.789 -3.240 -4.171 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.114 -0.733 -2.558 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.093 -2.347 -1.874 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.305 -3.059 -3.337 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.494 -1.661 -4.376 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.131 -0.613 -2.979 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.564 -2.308 -3.307 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.147 -1.017 -4.383 1.00 0.00 H new ATOM 928 N GLU B 27 -13.011 -1.077 -3.122 1.00 0.00 N ATOM 929 CA GLU B 27 -14.319 -0.938 -2.504 1.00 0.00 C ATOM 930 C GLU B 27 -15.294 -1.961 -3.091 1.00 0.00 C ATOM 931 O GLU B 27 -16.048 -2.597 -2.356 1.00 0.00 O ATOM 932 CB GLU B 27 -14.854 0.486 -2.666 1.00 0.00 C ATOM 933 CG GLU B 27 -14.437 1.366 -1.487 1.00 0.00 C ATOM 934 CD GLU B 27 -15.550 1.443 -0.439 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.885 0.372 0.111 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.039 2.570 -0.213 1.00 0.00 O ATOM 0 H GLU B 27 -12.628 -0.214 -3.509 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.218 -1.133 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.479 0.915 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -15.941 0.463 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.531 0.965 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.198 2.368 -1.843 1.00 0.00 H new ATOM 943 N GLU B 28 -15.247 -2.087 -4.409 1.00 0.00 N ATOM 944 CA GLU B 28 -16.135 -3.002 -5.105 1.00 0.00 C ATOM 945 C GLU B 28 -15.577 -4.426 -5.054 1.00 0.00 C ATOM 946 O GLU B 28 -16.307 -5.373 -4.766 1.00 0.00 O ATOM 947 CB GLU B 28 -16.362 -2.553 -6.550 1.00 0.00 C ATOM 948 CG GLU B 28 -17.703 -3.066 -7.079 1.00 0.00 C ATOM 949 CD GLU B 28 -17.581 -3.514 -8.538 1.00 0.00 C ATOM 950 OE1 GLU B 28 -17.358 -2.625 -9.387 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.714 -4.735 -8.769 1.00 0.00 O ATOM 0 H GLU B 28 -14.608 -1.571 -5.013 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.101 -2.994 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.338 -1.465 -6.605 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.553 -2.922 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.045 -3.900 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.455 -2.281 -6.997 1.00 0.00 H new ATOM 958 N LYS B 29 -14.288 -4.532 -5.340 1.00 0.00 N ATOM 959 CA LYS B 29 -13.631 -5.828 -5.364 1.00 0.00 C ATOM 960 C LYS B 29 -13.894 -6.553 -4.042 1.00 0.00 C ATOM 961 O LYS B 29 -14.582 -7.573 -4.015 1.00 0.00 O ATOM 962 CB LYS B 29 -12.145 -5.670 -5.693 1.00 0.00 C ATOM 963 CG LYS B 29 -11.423 -7.017 -5.629 1.00 0.00 C ATOM 964 CD LYS B 29 -11.753 -7.875 -6.853 1.00 0.00 C ATOM 965 CE LYS B 29 -12.564 -9.109 -6.455 1.00 0.00 C ATOM 966 NZ LYS B 29 -13.170 -9.738 -7.650 1.00 0.00 N ATOM 0 H LYS B 29 -13.681 -3.742 -5.557 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.045 -6.450 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.033 -5.240 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.686 -4.973 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.347 -6.854 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.712 -7.546 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.315 -7.283 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.830 -8.185 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.920 -9.826 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.345 -8.826 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.717 -10.574 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.800 -9.057 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.419 -10.026 -8.309 1.00 0.00 H new ATOM 980 N PHE B 30 -13.334 -5.998 -2.978 1.00 0.00 N ATOM 981 CA PHE B 30 -13.475 -6.594 -1.660 1.00 0.00 C ATOM 982 C PHE B 30 -14.882 -6.367 -1.103 1.00 0.00 C ATOM 983 O PHE B 30 -15.224 -6.882 -0.040 1.00 0.00 O ATOM 984 CB PHE B 30 -12.460 -5.906 -0.746 1.00 0.00 C ATOM 985 CG PHE B 30 -11.010 -6.322 -1.002 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.480 -7.384 -0.337 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.251 -5.631 -1.893 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.134 -7.770 -0.574 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.905 -6.017 -2.130 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.375 -7.079 -1.465 1.00 0.00 C ATOM 0 H PHE B 30 -12.781 -5.141 -3.001 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.306 -7.669 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.545 -4.827 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.713 -6.126 0.291 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.083 -7.933 0.371 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.672 -4.788 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.713 -8.613 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.302 -5.468 -2.838 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.351 -7.373 -1.645 1.00 0.00 H new